SCHEMBL8121389

SCHEMBL8121389

O=C(Nc1nc(NC(=O)c2ccccc2)c2nc[nH]c2n1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.51
▸ STAT3 P40763 3/20 0.49
▸ ADORA1 P30542 3/20 0.48
▸ PDPK1 O15530 1/20 0.47
▸ ADORA3 P0DMS8 4/20 0.45
▸ F2 P00734 3/20 0.45
▸ F12 P00748 2/20 0.45
▸ ADORA2A P29274 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NT5C2 P49902 2/20 0.44
▸ PLAU P00749 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ P2RX3 P56373 1/20 0.43
▸ NT5E P21589 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KDR P35968 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2514195 0.82 BRD4 (0.47) BRD4STAT3ADORA1PDPK1ADORA3
SCHEMBL23123 0.80 BRD4 (0.64) BRD4PDPK1NT5C2NT5EHTT
SCHEMBL8121393 0.80 STAT3 (0.69) BRD4STAT3ADORA1ADORA3F2
SCHEMBL8381773 0.79 BRD4 (0.63) BRD4PDPK1NT5C2NT5EHTT
SCHEMBL21356264 0.79 RAB9A (0.47) BRD4STAT3ADORA1PDPK1F2
SCHEMBL7717445 0.78 BRD4 (0.51) BRD4PDPK1ADORA3NT5C2KMT2A
SCHEMBL6463473 0.77 BRD4 (0.60) BRD4ADORA1PDPK1ADORA3ADORA2A
SCHEMBL3889223 0.76 BRD4 (0.42) BRD4ADORA1PDPK1ADORA3ADORA2A
SCHEMBL4405832 0.76 CYP1A2 (0.50) BRD4STAT3ADORA1ADORA3F2
SCHEMBL25921184 0.76 GAA (0.56) ADORA1ADORA3ADORA2AHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118126098-A Method for synthesizing 2-amino adenosine and product thereof 江苏欣德瑞医药科技有限公司 2024-06-04 — — CN claimed
CN-118126098-A Method for synthesizing 2-amino adenosine and product thereof 江苏欣德瑞医药科技有限公司 2024-06-04 — — CN disclosed
EP-0707481-B1 L-2',3'-DIDEOXY NUCLEOSIDE ANALOGS AS ANTI-HEPATITIS B (HBV) AND ANTI-HIV AGENTS UNIV YALE (US) 2000-08-16 — — EP disclosed
US-5830881-A L-2'3',dideoxy nucleoside analogs as anti-hepatitus B (HBV) agents YALE UNIVERSITY (US) 1998-11-03 — — US disclosed
US-5631239-A VIRICIDES FOR HEPATITIS YALE UNIVERSITY (US) 1997-05-20 — — US disclosed
US-5627160-A L-2',3'-dideoxy nucleoside analogs as anti-hepatitis B (HBV) and anti-HIV agents YALE UNIVERSITY (US) 1997-05-06 — — US disclosed
US-5561120-A LOW TOXICITY TO HOST CELLS YALE UNIVERSITY (US) 1996-10-01 — — US disclosed
EP-0707481-A4 — — 1996-05-29 — — EP disclosed
EP-0707481-A1 L-2',3'-DIDEOXY NUCLEOSIDE ANALOGS AS ANTI-HEPATITIS B (HBV) AND ANTI-HIV AGENTS YALE UNIVERSITY (US) 1996-04-24 — — EP disclosed
WO-1994027616-A1 L-2',3'-DIDEOXY NUCLEOSIDE ANALOGS AS ANTI-HEPATITIS B (HBV) AND ANTI-HIV AGENTS YALE UNIVERSITY (US) 1994-12-08 — — WO disclosed
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